4-(3-propylsulfonylpropyl)pyridin-2-amine

C11H18N2O2S — CID 106731731

IUPAC4-(3-propylsulfonylpropyl)pyridin-2-amine
SMILESCCCS(=O)(=O)CCCc1ccnc(N)c1
InChIInChI=1S/C11H18N2O2S/c1-2-7-16(14,15)8-3-4-10-5-6-13-11(12)9-10/h5-6,9H,2-4,7-8H2,1H3,(H2,12,13)
InChIKeyJVECZFFFBXOHAJ-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.42
Rot. Bonds6

About 4-(3-propylsulfonylpropyl)pyridin-2-amine

4-(3-propylsulfonylpropyl)pyridin-2-amine (PubChem CID 106731731) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-(3-propylsulfonylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(3-propylsulfonylpropyl)pyridin-2-amine
PubChem CID106731731
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name4-(3-propylsulfonylpropyl)pyridin-2-amine
SMILESCCCS(=O)(=O)CCCc1ccnc(N)c1
InChIInChI=1S/C11H18N2O2S/c1-2-7-16(14,15)8-3-4-10-5-6-13-11(12)9-10/h5-6,9H,2-4,7-8H2,1H3,(H2,12,13)
InChIKeyJVECZFFFBXOHAJ-UHFFFAOYSA-N
XLogP1.42
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-benzylsulfonylethyl)pyridin-2-amine
CID 57251584
2-amino-N-(4-butylphenyl)pyridine-4-sulfonamide
CID 62145322
ethane;4-ethylpyridin-2-amine
CID 144736585
4-(2-chloroethyl)pyridin-2-amine
CID 91610191
4-butyl-2-methylsulfonylpyridine
CID 148809868
4-butyl-2-ethylsulfonylpyridine
CID 173100976
4-(4-bromo-5,5-dimethylhexyl)pyridin-2-amine
CID 64507434
4-[2-(3-methylphenyl)ethyl]pyridin-2-amine
CID 56992770
4-[3-(trifluoromethylsulfanyl)propyl]pyridin-2-amine
CID 116627036
4-[(2-amino-4-pyridinyl)methyl]-N,N-dipropylpiperazine-1-sulfonamide
CID 136537496
(4-pentyl-2-pyridinyl)sulfonylformamide
CID 173090065
4-(heptoxymethyl)pyridin-2-amine
CID 62465689

Frequently Asked Questions

What is the IUPAC name of 4-(3-propylsulfonylpropyl)pyridin-2-amine?
The IUPAC name of 4-(3-propylsulfonylpropyl)pyridin-2-amine (CID 106731731) is 4-(3-propylsulfonylpropyl)pyridin-2-amine.
What is the SMILES notation for 4-(3-propylsulfonylpropyl)pyridin-2-amine?
The canonical SMILES for 4-(3-propylsulfonylpropyl)pyridin-2-amine is CCCS(=O)(=O)CCCc1ccnc(N)c1.
What is the InChIKey of 4-(3-propylsulfonylpropyl)pyridin-2-amine?
The InChIKey is JVECZFFFBXOHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-2-7-16(14,15)8-3-4-10-5-6-13-11(12)9-10/h5-6,9H,2-4,7-8H2,1H3,(H2,12,13).
What are the key properties of 4-(3-propylsulfonylpropyl)pyridin-2-amine?
4-(3-propylsulfonylpropyl)pyridin-2-amine has a molecular weight of 242.34 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propylsulfonylpropyl)pyridin-2-amine is sourced from PubChem (CID 106731731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).